1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine

C14H19F3N2S — CID 64757028

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2S/c1-18-13(7-3-4-9(8-13)14(15,16)17)12-19-10-5-2-6-11(10)20-12/h9,18H,2-8H2,1H3
InChIKeyHAUPURCDALMGAU-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.80
Rot. Bonds2

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757028) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757028
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2S/c1-18-13(7-3-4-9(8-13)14(15,16)17)12-19-10-5-2-6-11(10)20-12/h9,18H,2-8H2,1H3
InChIKeyHAUPURCDALMGAU-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757028) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is CNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HAUPURCDALMGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-18-13(7-3-4-9(8-13)14(15,16)17)12-19-10-5-2-6-11(10)20-12/h9,18H,2-8H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 304.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).